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Chemical ID: 6039199
Chemical ID:
6039199
Name [?]:
N-propyl-N-[2-(3-pyridylmethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCN(CCC(=O)NCc1cccnc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C17H21N5O2/c1-2-9-22(17(24)15-13-19-7-8-20-15)10-5-16(23)21-12-14-4-3-6-18-11-14/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,14,22,23,3,5,16,10,20,11,19,7,17,15,21,24,9,4,8,18/rA:24nCCCNCCCONCCCCCNCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N5O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0164 |
Area: | 557.141 |
Solvation: | -3.91211 |
Coulombic: | -52.636 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 327.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.21 |
LogP (Chemaxon): | -0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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